# generated using pymatgen
data_LiMgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06443800
_cell_length_b   6.06443800
_cell_length_c   6.06443800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgIr
_chemical_formula_sum   'Li4 Mg4 Ir4'
_cell_volume   223.03431217
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  Li  Li3  1  0.00000000  0.50000000  0.50000000  1
  Mg  Mg4  1  0.00000000  0.00000000  0.00000000  1
  Mg  Mg5  1  0.00000000  0.00000000  0.50000000  1
  Mg  Mg6  1  0.00000000  0.50000000  0.00000000  1
  Mg  Mg7  1  0.50000000  0.00000000  0.00000000  1
  Ir  Ir8  1  0.25552100  0.25552100  0.74447900  1
  Ir  Ir9  1  0.25552100  0.74447900  0.25552100  1
  Ir  Ir10  1  0.74447900  0.25552100  0.25552100  1
  Ir  Ir11  1  0.74447900  0.74447900  0.74447900  1
